Found 748 hits with Last Name = 'tam' and Initial = 'sy' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219599
(5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phen...)Show SMILES OC(=O)COc1c(Cl)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C25H25ClN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219588
(4-bromo-3-(carboxymethoxy)-5-(3-{[1-({2-[(methylsu...)Show SMILES CS(=O)(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C26H28BrN3O9S3/c1-41(35,36)29-20-8-3-2-5-17(20)15-42(37,38)30-11-9-18(10-12-30)28-19-7-4-6-16(13-19)24-22(27)23(39-14-21(31)32)25(40-24)26(33)34/h2-8,13,18,28-29H,9-12,14-15H2,1H3,(H,31,32)(H,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Prothrombin
(Homo sapiens (Human)) | BDBM50054502
(CHEMBL140494 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...)Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H31N5O5S/c22-20(23)15-8-4-9-16(19(15)28)24-18(27)12-26-11-5-10-17(21(26)29)25-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19,25,28H,4-5,8-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc.
Curated by ChEMBL
| Assay Description compound was tested in vitro for inhibition of serine protease thrombin(FIIa). |
J Med Chem 39: 4531-6 (1996)
Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219577
(5-[3-({1-[(2-aminobenzyl)sulfonyl]piperidin-4-yl}a...)Show SMILES Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C25H26BrN3O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)15-5-3-6-18(12-15)28-17-8-10-29(11-9-17)38(34,35)14-16-4-1-2-7-19(16)27/h1-7,12,17,28H,8-11,13-14,27H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219584
(5-{3-[(1-{[2-(acetylamino)benzyl]sulfonyl}piperidi...)Show SMILES CC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C27H28BrN3O8S2/c1-16(32)29-21-8-3-2-5-18(21)15-41(37,38)31-11-9-19(10-12-31)30-20-7-4-6-17(13-20)25-23(28)24(39-14-22(33)34)26(40-25)27(35)36/h2-8,13,19,30H,9-12,14-15H2,1H3,(H,29,32)(H,33,34)(H,35,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219577
(5-[3-({1-[(2-aminobenzyl)sulfonyl]piperidin-4-yl}a...)Show SMILES Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C25H26BrN3O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)15-5-3-6-18(12-15)28-17-8-10-29(11-9-17)38(34,35)14-16-4-1-2-7-19(16)27/h1-7,12,17,28H,8-11,13-14,27H2,(H,30,31)(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219588
(4-bromo-3-(carboxymethoxy)-5-(3-{[1-({2-[(methylsu...)Show SMILES CS(=O)(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C26H28BrN3O9S3/c1-41(35,36)29-20-8-3-2-5-17(20)15-42(37,38)30-11-9-18(10-12-30)28-19-7-4-6-16(13-19)24-22(27)23(39-14-21(31)32)25(40-24)26(33)34/h2-8,13,18,28-29H,9-12,14-15H2,1H3,(H,31,32)(H,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9690
(SCH446211 (SCH6) Analog 23 | tert-butyl N-[(2S)-1-...)Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)c1ccccc1 |r| Show InChI InChI=1S/C37H53F3N6O8/c1-34(2,3)28(44-33(53)54-35(4,5)6)32(52)46-19-21-24(36(21,7)8)26(46)29(49)42-22(16-17-37(38,39)40)27(48)30(50)41-18-23(47)43-25(31(51)45(9)10)20-14-12-11-13-15-20/h11-15,21-22,24-26,28H,16-19H2,1-10H3,(H,41,50)(H,42,49)(H,43,47)(H,44,53)/t21-,22?,24-,25-,26-,28+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | -50.5 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute
| Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... |
J Med Chem 49: 2750-7 (2006)
Article DOI: 10.1021/jm060077j BindingDB Entry DOI: 10.7270/Q2V98691 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219584
(5-{3-[(1-{[2-(acetylamino)benzyl]sulfonyl}piperidi...)Show SMILES CC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C27H28BrN3O8S2/c1-16(32)29-21-8-3-2-5-18(21)15-41(37,38)31-11-9-19(10-12-31)30-20-7-4-6-17(13-20)25-23(28)24(39-14-22(33)34)26(40-25)27(35)36/h2-8,13,19,30H,9-12,14-15H2,1H3,(H,29,32)(H,33,34)(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219586
(4-bromo-3-(carboxymethoxy)-5-{3-[(1-{[2-(trifluoro...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C26H24BrF3N2O7S2/c27-21-22(39-13-20(33)34)24(25(35)36)40-23(21)15-5-3-6-18(12-15)31-17-8-10-32(11-9-17)41(37,38)14-16-4-1-2-7-19(16)26(28,29)30/h1-7,12,17,31H,8-11,13-14H2,(H,33,34)(H,35,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219570
(4-bromo-3-carboxymethoxy-5-{3-[(1-o-tolylcarbamoyl...)Show SMILES Cc1ccccc1NC(=O)N1CCC(CNc2cccc(c2)-c2sc(C(O)=O)c(OCC(O)=O)c2Br)CC1 Show InChI InChI=1S/C27H28BrN3O6S/c1-16-5-2-3-8-20(16)30-27(36)31-11-9-17(10-12-31)14-29-19-7-4-6-18(13-19)24-22(28)23(37-15-21(32)33)25(38-24)26(34)35/h2-8,13,17,29H,9-12,14-15H2,1H3,(H,30,36)(H,32,33)(H,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219585
(4-bromo-3-carboxymethoxy-5-(3-{[1-(2-methoxyphenyl...)Show SMILES COc1ccccc1NC(=O)N1CCC(CNc2cccc(c2)-c2sc(C(O)=O)c(OCC(O)=O)c2Br)CC1 Show InChI InChI=1S/C27H28BrN3O7S/c1-37-20-8-3-2-7-19(20)30-27(36)31-11-9-16(10-12-31)14-29-18-6-4-5-17(13-18)24-22(28)23(38-15-21(32)33)25(39-24)26(34)35/h2-8,13,16,29H,9-12,14-15H2,1H3,(H,30,36)(H,32,33)(H,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219569
(4-bromo-3-carboxymethoxy-5-(3-{[1-(2,6-dimethylphe...)Show SMILES Cc1cccc(C)c1NC(=O)N1CCC(CNc2cccc(c2)-c2sc(C(O)=O)c(OCC(O)=O)c2Br)CC1 Show InChI InChI=1S/C28H30BrN3O6S/c1-16-5-3-6-17(2)23(16)31-28(37)32-11-9-18(10-12-32)14-30-20-8-4-7-19(13-20)25-22(29)24(38-15-21(33)34)26(39-25)27(35)36/h3-8,13,18,30H,9-12,14-15H2,1-2H3,(H,31,37)(H,33,34)(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9691
(SCH446211 (SCH6) | TERT-BUTYL [(1S)-1-({(1R,2S,5S)...)Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@H](CC1CC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)c1ccccc1 |r| Show InChI InChI=1S/C38H56N6O8/c1-36(2,3)30(42-35(51)52-37(4,5)6)34(50)44-20-23-26(38(23,7)8)28(44)31(47)40-24(18-21-16-17-21)29(46)32(48)39-19-25(45)41-27(33(49)43(9)10)22-14-12-11-13-15-22/h11-15,21,23-24,26-28,30H,16-20H2,1-10H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t23-,24-,26-,27-,28-,30+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 3.80 | -48.9 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute
| Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... |
J Med Chem 49: 2750-7 (2006)
Article DOI: 10.1021/jm060077j BindingDB Entry DOI: 10.7270/Q2V98691 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219566
(4-bromo-3-carboxymethoxy-5-[3-(1-phenylmethanesulf...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C25H25BrN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219575
(3-carboxymethoxy-5-{3-[1-(2-chlorobenzenesulfonyl)...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2Cl)c1 Show InChI InChI=1S/C25H24BrClN2O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)15-5-3-6-18(12-15)28-17-8-10-29(11-9-17)38(34,35)14-16-4-1-2-7-19(16)27/h1-7,12,17,28H,8-11,13-14H2,(H,30,31)(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219567
(4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2-methylbenz...)Show SMILES Cc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C26H27BrN2O7S2/c1-16-5-2-3-6-18(16)15-38(34,35)29-11-9-19(10-12-29)28-20-8-4-7-17(13-20)24-22(27)23(36-14-21(30)31)25(37-24)26(32)33/h2-8,13,19,28H,9-12,14-15H2,1H3,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219568
(4-bromo-3-carboxymethoxy-5-(3-{[1-(2-chlorophenylc...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NCC2CCN(CC2)C(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C26H25BrClN3O6S/c27-21-22(37-14-20(32)33)24(25(34)35)38-23(21)16-4-3-5-17(12-16)29-13-15-8-10-31(11-9-15)26(36)30-19-7-2-1-6-18(19)28/h1-7,12,15,29H,8-11,13-14H2,(H,30,36)(H,32,33)(H,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219575
(3-carboxymethoxy-5-{3-[1-(2-chlorobenzenesulfonyl)...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2Cl)c1 Show InChI InChI=1S/C25H24BrClN2O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)15-5-3-6-18(12-15)28-17-8-10-29(11-9-17)38(34,35)14-16-4-1-2-7-19(16)27/h1-7,12,17,28H,8-11,13-14H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219585
(4-bromo-3-carboxymethoxy-5-(3-{[1-(2-methoxyphenyl...)Show SMILES COc1ccccc1NC(=O)N1CCC(CNc2cccc(c2)-c2sc(C(O)=O)c(OCC(O)=O)c2Br)CC1 Show InChI InChI=1S/C27H28BrN3O7S/c1-37-20-8-3-2-7-19(20)30-27(36)31-11-9-16(10-12-31)14-29-18-6-4-5-17(13-18)24-22(28)23(38-15-21(32)33)25(39-24)26(34)35/h2-8,13,16,29H,9-12,14-15H2,1H3,(H,30,36)(H,32,33)(H,34,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219570
(4-bromo-3-carboxymethoxy-5-{3-[(1-o-tolylcarbamoyl...)Show SMILES Cc1ccccc1NC(=O)N1CCC(CNc2cccc(c2)-c2sc(C(O)=O)c(OCC(O)=O)c2Br)CC1 Show InChI InChI=1S/C27H28BrN3O6S/c1-16-5-2-3-8-20(16)30-27(36)31-11-9-17(10-12-31)14-29-19-7-4-6-18(13-19)24-22(28)23(37-15-21(32)33)25(38-24)26(34)35/h2-8,13,17,29H,9-12,14-15H2,1H3,(H,30,36)(H,32,33)(H,34,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219566
(4-bromo-3-carboxymethoxy-5-[3-(1-phenylmethanesulf...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C25H25BrN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219568
(4-bromo-3-carboxymethoxy-5-(3-{[1-(2-chlorophenylc...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NCC2CCN(CC2)C(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C26H25BrClN3O6S/c27-21-22(37-14-20(32)33)24(25(34)35)38-23(21)16-4-3-5-17(12-16)29-13-15-8-10-31(11-9-15)26(36)30-19-7-2-1-6-18(19)28/h1-7,12,15,29H,8-11,13-14H2,(H,30,36)(H,32,33)(H,34,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219586
(4-bromo-3-(carboxymethoxy)-5-{3-[(1-{[2-(trifluoro...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C26H24BrF3N2O7S2/c27-21-22(39-13-20(33)34)24(25(35)36)40-23(21)15-5-3-6-18(12-15)31-17-8-10-32(11-9-17)41(37,38)14-16-4-1-2-7-19(16)26(28,29)30/h1-7,12,17,31H,8-11,13-14H2,(H,33,34)(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219567
(4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2-methylbenz...)Show SMILES Cc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C26H27BrN2O7S2/c1-16-5-2-3-6-18(16)15-38(34,35)29-11-9-19(10-12-29)28-20-8-4-7-17(13-20)24-22(27)23(36-14-21(30)31)25(37-24)26(32)33/h2-8,13,19,28H,9-12,14-15H2,1H3,(H,30,31)(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219565
(4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2,6-dimethyl...)Show SMILES Cc1cccc(C)c1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C27H29BrN2O7S2/c1-16-5-3-6-17(2)21(16)15-39(35,36)30-11-9-19(10-12-30)29-20-8-4-7-18(13-20)25-23(28)24(37-14-22(31)32)26(38-25)27(33)34/h3-8,13,19,29H,9-12,14-15H2,1-2H3,(H,31,32)(H,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219591
(5-[3-({[1-(anilinocarbonyl)piperidin-4-yl]methyl}a...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NCC2CCN(CC2)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C26H26BrN3O6S/c27-21-22(36-15-20(31)32)24(25(33)34)37-23(21)17-5-4-8-19(13-17)28-14-16-9-11-30(12-10-16)26(35)29-18-6-2-1-3-7-18/h1-8,13,16,28H,9-12,14-15H2,(H,29,35)(H,31,32)(H,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219589
(5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phen...)Show SMILES Cc1c(OCC(O)=O)c(sc1-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C26H28N2O7S2/c1-17-23(35-15-22(29)30)25(26(31)32)36-24(17)19-8-5-9-21(14-19)27-20-10-12-28(13-11-20)37(33,34)16-18-6-3-2-4-7-18/h2-9,14,20,27H,10-13,15-16H2,1H3,(H,29,30)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219565
(4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2,6-dimethyl...)Show SMILES Cc1cccc(C)c1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C27H29BrN2O7S2/c1-16-5-3-6-17(2)21(16)15-39(35,36)30-11-9-19(10-12-30)29-20-8-4-7-18(13-20)25-23(28)24(37-14-22(31)32)26(38-25)27(33)34/h3-8,13,19,29H,9-12,14-15H2,1-2H3,(H,31,32)(H,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219576
(4-bromo-3-(carboxymethoxy)-5-(3-(1-(3-chlorobenzyl...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2cccc(Cl)c2)c1 Show InChI InChI=1S/C25H24BrClN2O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)16-4-2-6-19(12-16)28-18-7-9-29(10-8-18)38(34,35)14-15-3-1-5-17(27)11-15/h1-6,11-12,18,28H,7-10,13-14H2,(H,30,31)(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219569
(4-bromo-3-carboxymethoxy-5-(3-{[1-(2,6-dimethylphe...)Show SMILES Cc1cccc(C)c1NC(=O)N1CCC(CNc2cccc(c2)-c2sc(C(O)=O)c(OCC(O)=O)c2Br)CC1 Show InChI InChI=1S/C28H30BrN3O6S/c1-16-5-3-6-17(2)23(16)31-28(37)32-11-9-18(10-12-32)14-30-20-8-4-7-19(13-20)25-22(29)24(38-15-21(33)34)26(39-25)27(35)36/h3-8,13,18,30H,9-12,14-15H2,1-2H3,(H,31,37)(H,33,34)(H,35,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219580
(4-bromo-3-(carboxymethoxy)-5-[3-({1-[(4-chlorobenz...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C25H24BrClN2O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)16-2-1-3-19(12-16)28-18-8-10-29(11-9-18)38(34,35)14-15-4-6-17(27)7-5-15/h1-7,12,18,28H,8-11,13-14H2,(H,30,31)(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219576
(4-bromo-3-(carboxymethoxy)-5-(3-(1-(3-chlorobenzyl...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2cccc(Cl)c2)c1 Show InChI InChI=1S/C25H24BrClN2O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)16-4-2-6-19(12-16)28-18-7-9-29(10-8-18)38(34,35)14-15-3-1-5-17(27)11-15/h1-6,11-12,18,28H,7-10,13-14H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Genome polyprotein
(Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9684
(2-methylpropyl N-[(2S)-1-[(3aR,4S,6aR)-4-({1-[({[(...)Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC(C)(C)O[C@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C38H58N6O9/c1-11-15-25(30(46)33(48)39-19-27(45)41-28(34(49)43(9)10)23-16-13-12-14-17-23)40-32(47)29-24-18-38(7,8)53-26(24)20-44(29)35(50)31(37(4,5)6)42-36(51)52-21-22(2)3/h12-14,16-17,22,24-26,28-29,31H,11,15,18-21H2,1-10H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t24-,25?,26-,28-,29-,31+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | -46.4 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute
| Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... |
J Med Chem 49: 2750-7 (2006)
Article DOI: 10.1021/jm060077j BindingDB Entry DOI: 10.7270/Q2V98691 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9689
(SCH446211 (SCH6) Analog 22 | tert-butyl N-[(2S)-1-...)Show SMILES CCCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C38H58N6O8/c1-12-13-19-24(29(46)32(48)39-20-25(45)41-27(33(49)43(10)11)22-17-15-14-16-18-22)40-31(47)28-26-23(38(26,8)9)21-44(28)34(50)30(36(2,3)4)42-35(51)52-37(5,6)7/h14-18,23-24,26-28,30H,12-13,19-21H2,1-11H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t23-,24?,26-,27-,28-,30+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | -46.4 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute
| Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... |
J Med Chem 49: 2750-7 (2006)
Article DOI: 10.1021/jm060077j BindingDB Entry DOI: 10.7270/Q2V98691 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9686
(2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-...)Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C39H58N6O8/c1-8-15-27(33(47)35(49)40-20-28(46)42-30(36(50)44(6)7)24-16-11-9-12-17-24)41-34(48)32-29-26(39(29,4)5)21-45(32)37(51)31(25-18-13-10-14-19-25)43-38(52)53-22-23(2)3/h9,11-12,16-17,23,25-27,29-32H,8,10,13-15,18-22H2,1-7H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26-,27?,29-,30-,31-,32-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | -46.4 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute
| Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... |
J Med Chem 49: 2750-7 (2006)
Article DOI: 10.1021/jm060077j BindingDB Entry DOI: 10.7270/Q2V98691 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219583
(4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2-{[(ethylam...)Show SMILES CCNC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C28H31BrN4O8S2/c1-2-30-28(38)32-21-9-4-3-6-18(21)16-43(39,40)33-12-10-19(11-13-33)31-20-8-5-7-17(14-20)25-23(29)24(41-15-22(34)35)26(42-25)27(36)37/h3-9,14,19,31H,2,10-13,15-16H2,1H3,(H,34,35)(H,36,37)(H2,30,32,38) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219563
(5-(3-{[1-(anilinocarbonyl)piperidin-4-yl]methoxy}p...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(OCC2CCN(CC2)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C26H25BrN2O7S/c27-21-22(36-15-20(30)31)24(25(32)33)37-23(21)17-5-4-8-19(13-17)35-14-16-9-11-29(12-10-16)26(34)28-18-6-2-1-3-7-18/h1-8,13,16H,9-12,14-15H2,(H,28,34)(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219583
(4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2-{[(ethylam...)Show SMILES CCNC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C28H31BrN4O8S2/c1-2-30-28(38)32-21-9-4-3-6-18(21)16-43(39,40)33-12-10-19(11-13-33)31-20-8-5-7-17(14-20)25-23(29)24(41-15-22(34)35)26(42-25)27(36)37/h3-9,14,19,31H,2,10-13,15-16H2,1H3,(H,34,35)(H,36,37)(H2,30,32,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Genome polyprotein
(Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9688
(SCH446211 (SCH6) Analog 21 | tert-butyl N-[(2S)-1-...)Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C37H56N6O8/c1-12-16-23(28(45)31(47)38-19-24(44)40-26(32(48)42(10)11)21-17-14-13-15-18-21)39-30(46)27-25-22(37(25,8)9)20-43(27)33(49)29(35(2,3)4)41-34(50)51-36(5,6)7/h13-15,17-18,22-23,25-27,29H,12,16,19-20H2,1-11H3,(H,38,47)(H,39,46)(H,40,44)(H,41,50)/t22-,23?,25-,26-,27-,29+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 14 | -45.6 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute
| Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... |
J Med Chem 49: 2750-7 (2006)
Article DOI: 10.1021/jm060077j BindingDB Entry DOI: 10.7270/Q2V98691 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9685
(2-methylpropyl N-[(2S)-1-[(1S,3aR,6aS)-1-({1-[({[(...)Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC(C)(C)C[C@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C39H60N6O8/c1-11-15-27(31(47)34(49)40-20-28(46)42-29(35(50)44(9)10)24-16-13-12-14-17-24)41-33(48)30-26-19-39(7,8)18-25(26)21-45(30)36(51)32(38(4,5)6)43-37(52)53-22-23(2)3/h12-14,16-17,23,25-27,29-30,32H,11,15,18-22H2,1-10H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t25-,26-,27?,29-,30-,32+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | -45.4 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute
| Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... |
J Med Chem 49: 2750-7 (2006)
Article DOI: 10.1021/jm060077j BindingDB Entry DOI: 10.7270/Q2V98691 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50087641
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1 Show InChI InChI=1S/C25H39N9O7S/c26-24(27)33-9-6-15(7-10-33)12-19(32-42(40,41)14-16-3-1-4-17(11-16)23(38)39)21(36)30-13-20(35)31-18-5-2-8-34(22(18)37)25(28)29/h1,3-4,11,15,18-19,22,32,37H,2,5-10,12-14H2,(H3,26,27)(H3,28,29)(H,30,36)(H,31,35)(H,38,39)/t18-,19+,22?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc.
Curated by ChEMBL
| Assay Description In vitro inhibition of human trypsin. |
Bioorg Med Chem Lett 10: 745-9 (2000)
BindingDB Entry DOI: 10.7270/Q2D50M5R |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9687
(2-methylpropyl N-[(2S)-1-[(1R,2S,5S)-2-({1-[({[(S)...)Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C37H56N6O8/c1-11-15-24(29(45)32(47)38-18-25(44)40-27(33(48)42(9)10)22-16-13-12-14-17-22)39-31(46)28-26-23(37(26,7)8)19-43(28)34(49)30(36(4,5)6)41-35(50)51-20-21(2)3/h12-14,16-17,21,23-24,26-28,30H,11,15,18-20H2,1-10H3,(H,38,47)(H,39,46)(H,40,44)(H,41,50)/t23-,24?,26-,27-,28-,30+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | -45.2 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute
| Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... |
J Med Chem 49: 2750-7 (2006)
Article DOI: 10.1021/jm060077j BindingDB Entry DOI: 10.7270/Q2V98691 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50087645
(4-{2-[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piper...)Show SMILES CCOC(=O)c1ccc(CCOC(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)cc1 Show InChI InChI=1S/C29H45N9O7/c1-2-44-26(42)20-7-5-18(6-8-20)11-15-45-29(43)36-22(16-19-9-13-37(14-10-19)27(30)31)24(40)34-17-23(39)35-21-4-3-12-38(25(21)41)28(32)33/h5-8,19,21-22,25,41H,2-4,9-17H2,1H3,(H3,30,31)(H3,32,33)(H,34,40)(H,35,39)(H,36,43)/t21-,22+,25?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 10: 745-9 (2000)
BindingDB Entry DOI: 10.7270/Q2D50M5R |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9683
(2-methylpropyl N-[(2S)-1-[(2S,4R)-4-(tert-butoxy)-...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)OC(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C38H60N6O9/c1-12-16-26(30(46)33(48)39-20-28(45)41-29(34(49)43(10)11)24-17-14-13-15-18-24)40-32(47)27-19-25(53-38(7,8)9)21-44(27)35(50)31(37(4,5)6)42-36(51)52-22-23(2)3/h13-15,17-18,23,25-27,29,31H,12,16,19-22H2,1-11H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t25-,26?,27+,29+,31-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 19 | -44.8 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute
| Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... |
J Med Chem 49: 2750-7 (2006)
Article DOI: 10.1021/jm060077j BindingDB Entry DOI: 10.7270/Q2V98691 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50087639
((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...)Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2-n2cnnn2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1 Show InChI InChI=1S/C25H39N13O5S/c26-24(27)36-10-7-16(8-11-36)12-19(22(40)30-13-21(39)32-18-5-3-9-37(23(18)41)25(28)29)33-44(42,43)14-17-4-1-2-6-20(17)38-15-31-34-35-38/h1-2,4,6,15-16,18-19,23,33,41H,3,5,7-14H2,(H3,26,27)(H3,28,29)(H,30,40)(H,32,39)/t18-,19+,23?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc.
Curated by ChEMBL
| Assay Description Concentration of the compound required for classical fast inhibition of cleavage of the chromogenic substrate by human enzyme Coagulation factor X in... |
Bioorg Med Chem Lett 10: 745-9 (2000)
BindingDB Entry DOI: 10.7270/Q2D50M5R |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50087647
(CHEMBL162277 | [(R)-1-{[((S)-1-Carbamimidoyl-2-hyd...)Show SMILES COC(=O)N[C@H](CC1CCN(CC1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C19H35N9O5/c1-33-19(32)26-13(9-11-4-7-27(8-5-11)17(20)21)15(30)24-10-14(29)25-12-3-2-6-28(16(12)31)18(22)23/h11-13,16,31H,2-10H2,1H3,(H3,20,21)(H3,22,23)(H,24,30)(H,25,29)(H,26,32)/t12-,13+,16?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 10: 745-9 (2000)
BindingDB Entry DOI: 10.7270/Q2D50M5R |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50219581
(5-(3-(1-(benzylsulfonyl)piperidin-4-yloxy)phenyl)-...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(OC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C25H24BrNO8S2/c26-21-22(34-14-20(28)29)24(25(30)31)36-23(21)17-7-4-8-19(13-17)35-18-9-11-27(12-10-18)37(32,33)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,28,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219573
(4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMET...)Show SMILES CC1(C)CC(CC(C)(C)C1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C23H28BrNO5S/c1-22(2)9-15(10-23(3,4)12-22)25-14-7-5-6-13(8-14)19-17(24)18(30-11-16(26)27)20(31-19)21(28)29/h5-8,15,25H,9-12H2,1-4H3,(H,26,27)(H,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM9680
(2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(8S)-8-({1-...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)SCCS2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C38H56N6O8S2/c1-6-13-27(32(46)34(48)39-21-29(45)41-30(35(49)43(4)5)25-14-9-7-10-15-25)40-33(47)28-20-38(53-18-19-54-38)23-44(28)36(50)31(26-16-11-8-12-17-26)42-37(51)52-22-24(2)3/h7,9-10,14-15,24,26-28,30-31H,6,8,11-13,16-23H2,1-5H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t27?,28-,30-,31-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | -44.0 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
Schering-Plough Research Institute
| Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... |
J Med Chem 49: 2750-7 (2006)
Article DOI: 10.1021/jm060077j BindingDB Entry DOI: 10.7270/Q2V98691 |
More data for this Ligand-Target Pair | |